Molecule

ID:71789

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
InChIKey
TXWDVWSJMDFNQY-UHFFFAOYSA-N
Canonic Smiles
C1CC1c1ccn[nH]1
Isomeric Smiles
[nH]1c(ccn1)C1CC1
Calculated Properties
JChem
Acid pKa
15.1537695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9003444
LogD (pH = 7.4)
0.90075517
Log P
0.9007605
Molar Refractivity
32.0885
Polarizability
11.849426
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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